N-(4-fluoranyl-2-methyl-phenyl)-3-[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(4-fluoranyl-2-methyl-phenyl)-3-[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-(4-fluoro-2-methyl-phenyl)-3-[(3R)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]propanamide CAS Name: N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(4-thianyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(4-fluoro-2-methyl-phenyl)-3-[(3R)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]propionamide Formula: C20H30FN2OS+ MolecularWeight: 365.528403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NC(=O)CCC2CCC[NH+](C2)C3CCSCC3

Isomeric SMILES

CC1=C(C=CC(=C1)F)NC(=O)CC[C@H]2CCC[NH+](C2)C3CCSCC3

InChI

InChI=1S/C20H29FN2OS/c1-15-13-17(21)5-6-19(15)22-20(24)7-4-16-3-2-10-23(14-16)18-8-11-25-12-9-18/h5-6,13,16,18H,2-4,7-12,14H2,1H3,(H,22,24)/p+1/t16-/m1/s1